3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol

C15H25NO3 — CID 114358201

IUPAC3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
SMILESCOCC(N)C(CO)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H25NO3/c1-10(2)12-6-5-11(3)14(7-12)19-15(8-17)13(16)9-18-4/h5-7,10,13,15,17H,8-9,16H2,1-4H3
InChIKeyONCGMQRMSAXAKG-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.83
Rot. Bonds7

About 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol

3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol (PubChem CID 114358201) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
PubChem CID114358201
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
SMILESCOCC(N)C(CO)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H25NO3/c1-10(2)12-6-5-11(3)14(7-12)19-15(8-17)13(16)9-18-4/h5-7,10,13,15,17H,8-9,16H2,1-4H3
InChIKeyONCGMQRMSAXAKG-UHFFFAOYSA-N
XLogP1.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 114358206
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64897303
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
CID 114358313
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol (CID 114358201) is 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol is COCC(N)C(CO)Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The InChIKey is ONCGMQRMSAXAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)12-6-5-11(3)14(7-12)19-15(8-17)13(16)9-18-4/h5-7,10,13,15,17H,8-9,16H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol is sourced from PubChem (CID 114358201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).